6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

C16H12N2O7S2 — CID 17731

IUPAC6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1
InChIInChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKeyKEYWXKLGZZGHMT-ISLYRVAYSA-N
MW408.41 g/mol
LogP3.45
Rot. Bonds4

About 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 17731) has the molecular formula C16H12N2O7S2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID17731
Molecular FormulaC16H12N2O7S2
Molecular Weight408.41 g/mol
Exact Mass408.01
IUPAC Name6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1
InChIInChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+
InChIKeyKEYWXKLGZZGHMT-ISLYRVAYSA-N
XLogP3.45
TPSA153.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylazo)-2-naphthol
CID 13297
Amaranth
CID 13506
C.I. Acid Orange 10
CID 16015
FD&C yellow 6
CID 17730
C.I. Acid Orange 7
CID 135442941
1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-
CID 19098
E129
CID 33258
Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CID 135513128
Barium lithol red
CID 14199
Azorubine
CID 19118
Acid Red 26
CID 19579
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-
CID 3246023

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (CID 17731) is 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is KEYWXKLGZZGHMT-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+.
What are the key properties of 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 408.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 17731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).